Compound Detail
CHEMBL591036
PELARGONIDIN CHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL591036 |
| Name | PELARGONIDIN CHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPVZJXMTXCOTJN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1197905 |
| Active Moiety | CHEMBL1197905 |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
271.2
MW (Da)
3.20
ALogP
4
HBA
4
HBD
92.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.38
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Olfactory receptor 51E2 CHEMBL4523454 | EC50 | 9.38 | 9.38 | 0.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Olfactory receptor 51E2 | EC50 | = | 0.42 | nM | 9.38 | Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... | - |
| Unchecked | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of porcine heart MDH using oxaloacetic acid as substrate preincubated... | 38864383 |
| Lactoylglutathione lyase | IC50 | = | 16400.0 | nM | 4.79 | Inhibition of human recombinant glyoxalase 1 assessed as S-D-lactoylglutathione ... | 20801663 |
| SARS-CoV-2 | EC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against SARS-CoV-2 | 38864383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38864383 | 10.1021/acs.jmedchem.4c00597 | No relevant target | 3 |
| 38864383 | 10.1021/acs.jmedchem.4c00597 | Unchecked | 3 |
| 19944611 | 10.1016/j.bmc.2009.11.015 | No relevant target | 1 |
| 19944611 | 10.1016/j.bmc.2009.11.015 | NON-PROTEIN TARGET | 1 |
| 20801663 | 10.1016/j.bmc.2010.08.012 | Lactoylglutathione lyase | 1 |
| 20801663 | 10.1016/j.bmc.2010.08.012 | HL-60 | 1 |
| 38864383 | 10.1021/acs.jmedchem.4c00597 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine